N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine

C14H24N2S — CID 55167019

IUPACN-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
SMILESCCC1(CN(C)Cc2ccsc2)CCCNC1
InChIInChI=1S/C14H24N2S/c1-3-14(6-4-7-15-11-14)12-16(2)9-13-5-8-17-10-13/h5,8,10,15H,3-4,6-7,9,11-12H2,1-2H3
InChIKeyJMFDNTJHJLQVOW-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.96
Rot. Bonds5

About N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine

N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine (PubChem CID 55167019) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
PubChem CID55167019
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
SMILESCCC1(CN(C)Cc2ccsc2)CCCNC1
InChIInChI=1S/C14H24N2S/c1-3-14(6-4-7-15-11-14)12-16(2)9-13-5-8-17-10-13/h5,8,10,15H,3-4,6-7,9,11-12H2,1-2H3
InChIKeyJMFDNTJHJLQVOW-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 63133387
N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 63133198
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 65002220
N-[[1-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 62257148
N-[(3-ethylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 63142695
N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine
CID 63143130
1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63534076
[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol
CID 55241090
1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63132884
N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 63132920
N-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 63142747
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63741009

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine (CID 55167019) is N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine is CCC1(CN(C)Cc2ccsc2)CCCNC1.
What is the InChIKey of N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The InChIKey is JMFDNTJHJLQVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-14(6-4-7-15-11-14)12-16(2)9-13-5-8-17-10-13/h5,8,10,15H,3-4,6-7,9,11-12H2,1-2H3.
What are the key properties of N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine?
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine has a molecular weight of 252.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 55167019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).